Theoretical Evaluation of the Molecular Inclusion Process between Chlordecone and Cyclodextrins: A New Method for Mitigating the Basis Set Superposition Error in the Case of an Implicit Solvation Model.
Juan José Gamboa-CarballoAnthuan Ferino-PérezVijay Kumar RanaJoëlle Levalois-GrützmacherSarra GaspardLuis Alberto Montero-CabreraUlises Javier Jáuregui-HazaPublished in: J. Chem. Inf. Model. (2020)
Keyphrases
- mathematical model
- evaluation method
- evaluation model
- input data
- theoretical analysis
- statistical model
- cost function
- error rate
- probabilistic model
- recognition process
- similarity measure
- prior knowledge
- parameter estimation
- conceptual model
- evaluation framework
- sensitivity analysis
- em algorithm
- test data
- process model
- high order
- objective function
- linear model
- feature set
- prior information
- probability distribution
- iterative process
- optimization process
- network model
- clustering method
- analytical model
- error function
- statistical methods
- optimization method
- closed form
- classification method
- adaptation process
- diffusion process
- evaluation process
- autoregressive
- hybrid model
- bp neural network
- recognition algorithm
- linear regression
- image set
- parameter space
- detection method
- pairwise
- bayesian networks